N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide

C10H12BrFN4O — CID 126623323

IUPACN-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESCc1ncc(NC(=O)C2CC(F)CN2)nc1Br
InChIInChI=1S/C10H12BrFN4O/c1-5-9(11)15-8(4-13-5)16-10(17)7-2-6(12)3-14-7/h4,6-7,14H,2-3H2,1H3,(H,15,16,17)
InChIKeyDDEYZAPKTAYSPL-UHFFFAOYSA-N
MW303.14 g/mol
LogP1.19
Rot. Bonds2

About N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide

N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 126623323) has the molecular formula C10H12BrFN4O and a molecular weight of 303.14 g/mol. Its IUPAC name is N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID126623323
Molecular FormulaC10H12BrFN4O
Molecular Weight303.14 g/mol
Exact Mass302.02
IUPAC NameN-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESCc1ncc(NC(=O)C2CC(F)CN2)nc1Br
InChIInChI=1S/C10H12BrFN4O/c1-5-9(11)15-8(4-13-5)16-10(17)7-2-6(12)3-14-7/h4,6-7,14H,2-3H2,1H3,(H,15,16,17)
InChIKeyDDEYZAPKTAYSPL-UHFFFAOYSA-N
XLogP1.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide (CID 126623323) is N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide is Cc1ncc(NC(=O)C2CC(F)CN2)nc1Br.
What is the InChIKey of N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is DDEYZAPKTAYSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN4O/c1-5-9(11)15-8(4-13-5)16-10(17)7-2-6(12)3-14-7/h4,6-7,14H,2-3H2,1H3,(H,15,16,17).
What are the key properties of N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 303.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 126623323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).